(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

C24H38O4Si — CID 135028289

IUPAC(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
SMILESC=CC1OC2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)COC4(C)C(=O)[C@]1(C)[C@]2(C)[C@H]43
InChIInChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16?,17?,18-,21-,22+,23?,24+/m1/s1
InChIKeyQUTGTGFEUHOQOF-WWHJOMJKSA-N
MW418.65 g/mol
LogP4.91
Rot. Bonds4

About (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one

(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (PubChem CID 135028289) has the molecular formula C24H38O4Si and a molecular weight of 418.65 g/mol. Its IUPAC name is (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.

Molecular Properties

Compound Name(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
PubChem CID135028289
Molecular FormulaC24H38O4Si
Molecular Weight418.65 g/mol
Exact Mass418.25
IUPAC Name(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
SMILESC=CC1OC2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)COC4(C)C(=O)[C@]1(C)[C@]2(C)[C@H]43
InChIInChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16?,17?,18-,21-,22+,23?,24+/m1/s1
InChIKeyQUTGTGFEUHOQOF-WWHJOMJKSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one with MolForge

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Related Compounds

(1S,2S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-2-(3-oxobutyl)-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
CID 102489796
(4S,7S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,9,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 134945351
(4S,7S,9R,10R,11S,12R)-9-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 134945352
(4S,7S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 134945353
(4S,9S,10R,11S,12R)-9-[(E)-but-2-en-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 135028089
(4S,9S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 135028090
(4S,9R,10R,11S,12R)-9-acetyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 135028339
(4S,9S,10R,11S,12R)-9-but-2-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 135028340
(4R,9S,10R,11S,12R)-9-[(E)-but-2-en-2-yl]-1,4,6,10,11-pentamethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one
CID 135028415
(1R,2S,6R,7S,8R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradec-12-ene-3,5,10-trione
CID 12187921
(1R,2R,6S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradec-12-ene-3,5,10-trione
CID 12187942
(1S,2R,5R,6R,7S)-5-methoxy-1-methyl-7-tri(propan-2-yl)silyloxy-10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 101068585

Frequently Asked Questions

What is the IUPAC name of (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The IUPAC name of (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one (CID 135028289) is (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one.
What is the SMILES notation for (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The canonical SMILES for (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is C=CC1OC2C(C)=C[C@@]3(CO[Si](C)(C)C(C)(C)C)COC4(C)C(=O)[C@]1(C)[C@]2(C)[C@H]43.
What is the InChIKey of (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
The InChIKey is QUTGTGFEUHOQOF-WWHJOMJKSA-N. The full InChI is InChI=1S/C24H38O4Si/c1-11-16-21(6)19(25)23(8)18-22(21,7)17(28-16)15(2)12-24(18,13-26-23)14-27-29(9,10)20(3,4)5/h11-12,16-18H,1,13-14H2,2-10H3/t16?,17?,18-,21-,22+,23?,24+/m1/s1.
What are the key properties of (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one?
(4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one has a molecular weight of 418.65 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,10R,11S,12R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-ethenyl-1,6,10,11-tetramethyl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridec-5-en-13-one is sourced from PubChem (CID 135028289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).